Vladilsav Ivanistsev

Any news about xtb2 implementation for 3D PBCs? Is there a thread in issues or pull requests about 3D PBC that can be followed?

Will the external field be implemented in xTB package?

A homogeneous electric field is what needed to mimic electrified interface. I am testing DFTB+, which indeed has a sophisticated as well as complicated way of writing inputs. That is...

Any progress? Just getting thousands of RSS without a way of filtering them is useless.

> Note that the "base" model works in a free [colab](https://colab.research.google.com/) notebook, after selecting Runtime/Change runtime time and picking "GPU". Would you be so kind and share an example of...